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Mapping structure-property relationships in a 6-oxo-verdazyl radical by variable pressure crystallography and density functional theory

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The response of the 1,5-tolyl-3-phenyl-6-oxo-verdazyl radical (pTolOV) to pressure in the crystalline state has been investigated using both high-pressure X-ray diffraction techniques and density functional theory (DFT) calculations. Changes in structure, elec... ...